CID 59303836

C8H13NO2 — CID 59303836

IUPAC—
SMILES[CH]N1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13NO2/c1-9-4-2-8(3-5-9)10-6-7-11-8/h1H,2-7H2
InChIKeyXXEGLTODGPWVKR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds

About CID 59303836

CID 59303836 (PubChem CID 59303836) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol.

Molecular Properties

Compound NameCID 59303836
PubChem CID59303836
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name—
SMILES[CH]N1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13NO2/c1-9-4-2-8(3-5-9)10-6-7-11-8/h1H,2-7H2
InChIKeyXXEGLTODGPWVKR-UHFFFAOYSA-N
XLogP0.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-Hydroxyethyl)-4-piperidone ethylene ketal
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8-Methyl-1,4-dioxa-8-azaspiro[4.5]decane
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1,4-Dioxa-8-azaspiro[4.5]decane-8-carbaldehyde
CID 12175143
Piperidyldioxolane
CID 13794886
1-(1,3-Dioxolan-4-yl)piperidine
CID 57145622
1,4-Dioxa-8-aza-spiro[4.5]decane-8-carbonitrile
CID 86678210
8-(3,3-Difluoropropyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 60114242
8-(2,2,2-Trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67007162
8-Fluoro-1,4-dioxa-8-azaspiro[4.5]decane
CID 140963436
8-(2,2-Dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane
CID 169032482
1,4-Dioxa-8-azoniaspiro[4.5]decane
CID 6997268

Frequently Asked Questions

What is the IUPAC name of CID 59303836?
The IUPAC name of CID 59303836 (CID 59303836) is not available.
What is the SMILES notation for CID 59303836?
The canonical SMILES for CID 59303836 is [CH]N1CCC2(CC1)OCCO2.
What is the InChIKey of CID 59303836?
The InChIKey is XXEGLTODGPWVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-4-2-8(3-5-9)10-6-7-11-8/h1H,2-7H2.
What are the key properties of CID 59303836?
CID 59303836 has a molecular weight of 155.20 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303836 is sourced from PubChem (CID 59303836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).